A1J1F
Summary
| Name: | 2-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid |
| Formula: | C16 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 281.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H11NO2S/c18-16(19)14-6-3-9-17-15(14)20-13-8-7-11-4-1-2-5-12(11)10-13/h1-10H,(H,18,19) |
| InChIKey | InChI | 1.06 | ROOJXEOQPIAHIM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccnc1Sc2ccc3ccccc3c2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cccnc1Sc2ccc3ccccc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)Sc3c(cccn3)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)Sc3c(cccn3)C(=O)O |
